SCHEMBL20177594

SCHEMBL20177594

COc1ccc(COC(=O)N[C@@H]2C(=O)NC[C@H]2c2c(F)cc(Br)cc2F)cc1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 20/20 0.59
FPR1 P21462 17/20 0.59
CYP3A4 P08684 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20177601 0.92 FPR2 (0.61) FPR2FPR1CYP3A4
SCHEMBL20177894 0.91 FPR2 (0.59) FPR2FPR1CYP3A4
SCHEMBL20177604 0.90 FPR2 (0.47) FPR2FPR1CYP3A4
SCHEMBL20177599 0.89 FPR2 (0.54) FPR2FPR1
SCHEMBL20177655 0.89 FPR2 (0.61) FPR2FPR1CYP3A4
SCHEMBL20177567 0.88 FPR2 (0.52) FPR2FPR1
SCHEMBL29434207 0.87 FPR2 (0.68) FPR2FPR1CYP3A4
SCHEMBL16785438 0.87 FPR2 (0.68) FPR2FPR1CYP3A4
SCHEMBL18106440 0.87 FPR2 (0.68) FPR2FPR1CYP3A4
SCHEMBL20177842 0.84 FPR1 (0.53) FPR2FPR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018092916-A1 NITROGEN-CONTAINING POLYCYCLIC HETEROCYCLIC DERIVATIVE 宇部興産株式会社 2018-05-24 WO disclosed